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BDBM51899 (2Z)-1-methyl-2-[(2Z)-2-[(1-methyl-2-benzo[e][1,3]benzothiazol-1-iumyl)methylidene]butylidene]benzo[e][1,3]benzothiazole;chloride::(2Z)-1-methyl-2-[(2Z)-2-[(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]benzo[e][1,3]benzothiazole;chloride::1-Methyl-2-[2-(1-methyl-1H-naphtho[1,2-d]thiazol-2-ylidenemethyl)-but-1-enyl]-naphtho[1,2-d]thiazol-1-ium::1-methyl-2-[(Z)-2-[(Z)-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)methyl]but-1-enyl]benzo[e][1,3]benzothiazol-1-ium;chloride::MLS001205038::SMR000504932::cid_23724230

SMILES: CC\C(=C\c1sc2ccc3ccccc3c2[n+]1C)\C=C1/Sc2ccc3ccccc3c2N1C

InChI Key: InChIKey=PKSGFGUEIRRUFZ-UHFFFAOYSA-N

Data: 3 IC50  3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 51899   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51899
PNG
((2Z)-1-methyl-2-[(2Z)-2-[(1-methyl-2-benzo[e][1,3]...)
Show SMILES CC\C(=C\c1sc2ccc3ccccc3c2[n+]1C)\C=C1/Sc2ccc3ccccc3c2N1C
Show InChI InChI=1S/C29H25N2S2/c1-4-19(17-26-30(2)28-22-11-7-5-9-20(22)13-15-24(28)32-26)18-27-31(3)29-23-12-8-6-10-21(23)14-16-25(29)33-27/h5-18H,4H2,1-3H3/q+1
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n/an/an/an/a 140n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


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More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51899
PNG
((2Z)-1-methyl-2-[(2Z)-2-[(1-methyl-2-benzo[e][1,3]...)
Show SMILES CC\C(=C\c1sc2ccc3ccccc3c2[n+]1C)\C=C1/Sc2ccc3ccccc3c2N1C
Show InChI InChI=1S/C29H25N2S2/c1-4-19(17-26-30(2)28-22-11-7-5-9-20(22)13-15-24(28)32-26)18-27-31(3)29-23-12-8-6-10-21(23)14-16-25(29)33-27/h5-18H,4H2,1-3H3/q+1
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n/an/an/an/a 140n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


Citation and Details
More data for this
Ligand-Target Pair
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM51899
PNG
((2Z)-1-methyl-2-[(2Z)-2-[(1-methyl-2-benzo[e][1,3]...)
Show SMILES CC\C(=C\c1sc2ccc3ccccc3c2[n+]1C)\C=C1/Sc2ccc3ccccc3c2N1C
Show InChI InChI=1S/C29H25N2S2/c1-4-19(17-26-30(2)28-22-11-7-5-9-20(22)13-15-24(28)32-26)18-27-31(3)29-23-12-8-6-10-21(23)14-16-25(29)33-27/h5-18H,4H2,1-3H3/q+1
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n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


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More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM51899
PNG
((2Z)-1-methyl-2-[(2Z)-2-[(1-methyl-2-benzo[e][1,3]...)
Show SMILES CC\C(=C\c1sc2ccc3ccccc3c2[n+]1C)\C=C1/Sc2ccc3ccccc3c2N1C
Show InChI InChI=1S/C29H25N2S2/c1-4-19(17-26-30(2)28-22-11-7-5-9-20(22)13-15-24(28)32-26)18-27-31(3)29-23-12-8-6-10-21(23)14-16-25(29)33-27/h5-18H,4H2,1-3H3/q+1
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n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


Citation and Details
More data for this
Ligand-Target Pair
beta-lactamase


(Salmonella enterica subsp. enterica serovar Choler...)
BDBM51899
PNG
((2Z)-1-methyl-2-[(2Z)-2-[(1-methyl-2-benzo[e][1,3]...)
Show SMILES CC\C(=C\c1sc2ccc3ccccc3c2[n+]1C)\C=C1/Sc2ccc3ccccc3c2N1C
Show InChI InChI=1S/C29H25N2S2/c1-4-19(17-26-30(2)28-22-11-7-5-9-20(22)13-15-24(28)32-26)18-27-31(3)29-23-12-8-6-10-21(23)14-16-25(29)33-27/h5-18H,4H2,1-3H3/q+1
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n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


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Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM51899
PNG
((2Z)-1-methyl-2-[(2Z)-2-[(1-methyl-2-benzo[e][1,3]...)
Show SMILES CC\C(=C\c1sc2ccc3ccccc3c2[n+]1C)\C=C1/Sc2ccc3ccccc3c2N1C
Show InChI InChI=1S/C29H25N2S2/c1-4-19(17-26-30(2)28-22-11-7-5-9-20(22)13-15-24(28)32-26)18-27-31(3)29-23-12-8-6-10-21(23)14-16-25(29)33-27/h5-18H,4H2,1-3H3/q+1
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n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


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Ligand-Target Pair